(2-fluoro-3-phenoxyphenyl)methanamine;hydrochloride

C13H13ClFNO — CID 66843725

IUPAC(2-fluoro-3-phenoxyphenyl)methanamine;hydrochloride
SMILESCl.NCc1cccc(Oc2ccccc2)c1F
InChIInChI=1S/C13H12FNO.ClH/c14-13-10(9-15)5-4-8-12(13)16-11-6-2-1-3-7-11;/h1-8H,9,15H2;1H
InChIKeySNVRVHBALQJDEY-UHFFFAOYSA-N
MW253.70 g/mol
LogP3.50
Rot. Bonds3

About (2-fluoro-3-phenoxyphenyl)methanamine;hydrochloride

(2-fluoro-3-phenoxyphenyl)methanamine;hydrochloride (PubChem CID 66843725) has the molecular formula C13H13ClFNO and a molecular weight of 253.70 g/mol. Its IUPAC name is (2-fluoro-3-phenoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-fluoro-3-phenoxyphenyl)methanamine;hydrochloride
PubChem CID66843725
Molecular FormulaC13H13ClFNO
Molecular Weight253.70 g/mol
Exact Mass253.07
IUPAC Name(2-fluoro-3-phenoxyphenyl)methanamine;hydrochloride
SMILESCl.NCc1cccc(Oc2ccccc2)c1F
InChIInChI=1S/C13H12FNO.ClH/c14-13-10(9-15)5-4-8-12(13)16-11-6-2-1-3-7-11;/h1-8H,9,15H2;1H
InChIKeySNVRVHBALQJDEY-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(chloromethyl)-2-fluoro-3-phenoxybenzene
CID 141096763
[2-[(2-phenoxyphenyl)methoxy]phenyl]methanamine
CID 150298277
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404
[2-(3-bromophenoxy)phenyl]methanamine
CID 28966197
2-fluoro-3-phenoxybenzamide
CID 58104414
1-(2-fluoro-6-phenoxyphenyl)ethane-1,2-diamine
CID 170894788
3-(2-phenoxyphenyl)propan-1-amine;phosphane
CID 175469418
[2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine
CID 55145340
[2-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methanamine
CID 107655131
2-fluoro-1-(4-fluorophenoxy)-3-(4-methyl-4-phenylpentyl)benzene
CID 21269863
[2-(fluoromethoxy)phenyl]methanamine;hydrochloride
CID 158704941

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-phenoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (2-fluoro-3-phenoxyphenyl)methanamine;hydrochloride (CID 66843725) is (2-fluoro-3-phenoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (2-fluoro-3-phenoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (2-fluoro-3-phenoxyphenyl)methanamine;hydrochloride is Cl.NCc1cccc(Oc2ccccc2)c1F.
What is the InChIKey of (2-fluoro-3-phenoxyphenyl)methanamine;hydrochloride?
The InChIKey is SNVRVHBALQJDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO.ClH/c14-13-10(9-15)5-4-8-12(13)16-11-6-2-1-3-7-11;/h1-8H,9,15H2;1H.
What are the key properties of (2-fluoro-3-phenoxyphenyl)methanamine;hydrochloride?
(2-fluoro-3-phenoxyphenyl)methanamine;hydrochloride has a molecular weight of 253.70 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-phenoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 66843725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).